N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine

C7H11N — CID 87525876

IUPACN-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(C)=C(/C)N=C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3/b7-6-
InChIKeyOYPRDUNBEQETJI-SREVYHEPSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine

N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine (PubChem CID 87525876) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
PubChem CID87525876
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(C)=C(/C)N=C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3/b7-6-
InChIKeyOYPRDUNBEQETJI-SREVYHEPSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine (CID 87525876) is N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine is C=C/C(C)=C(/C)N=C.
What is the InChIKey of N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is OYPRDUNBEQETJI-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3/b7-6-.
What are the key properties of N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 87525876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).